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Name | Adenosine receptor A1 |
---|---|
Species | Rattus norvegicus (Rat) |
Gene | Adora1 |
Synonym | A1 receptor A1-AR A1R adenosine receptor A1 RDC7 |
Disease | N/A for non-human GPCRs |
Length | 326 |
Amino acid sequence | MPPYISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKTVVTQRRAAVAIAGCWILSLVVGLTPMFGWNNLSVVEQDWRANGSVGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPTCQKPSILIYIAIFLTHGNSAMNPIVYAFRIHKFRVTFLKIWNDHFRCQPKPPIDEDLPEEKAED |
UniProt | P25099 |
Protein Data Bank | N/A |
GPCR-HGmod model | N/A |
3D structure model | No available structures or models |
BioLiP | N/A |
Therapeutic Target Database | N/A |
ChEMBL | CHEMBL318 |
IUPHAR | 18 |
DrugBank | N/A |
Name | KF-17837 |
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Molecular formula | C22H28N4O4 |
IUPAC name | 8-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-7-methyl-1,3-dipropylpurine-2,6-dione |
Molecular weight | 412.49 |
Hydrogen bond acceptor | 5 |
Hydrogen bond donor | 0 |
XlogP | 3.6 |
Synonyms | CHEMBL27508 SCHEMBL9364001 8-[2-(3,4-Dimethoxy-phenyl)-vinyl]-7-methyl-1,3-dipropyl-3,7-dihydro-purine-2,6-dione kf17837 141807-96-7 [ Show all ] |
Inchi Key | UQGGPCQNHJCOPS-PKNBQFBNSA-N |
Inchi ID | InChI=1S/C22H28N4O4/c1-6-12-25-20-19(21(27)26(13-7-2)22(25)28)24(3)18(23-20)11-9-15-8-10-16(29-4)17(14-15)30-5/h8-11,14H,6-7,12-13H2,1-5H3/b11-9+ |
PubChem CID | 6448585 |
ChEMBL | CHEMBL27508 |
IUPHAR | N/A |
BindingDB | 50006710 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand satisfies Lipinski's rule of five. |
Parameter | Value | Reference | Database source |
---|---|---|---|
IC50 | 62.0 nM | PMID11170626 | BindingDB,ChEMBL |
Ki | 62.0 nM | , PMID8246243, Bioorg. Med. Chem. Lett., (1997) 7:18:2349 | BindingDB,ChEMBL |
Ki | 260.0 nM | PMID9435909 | BindingDB,ChEMBL |
Ki | 390.0 nM | , PMID8246243, Bioorg. Med. Chem. Lett., (1997) 7:18:2349 | BindingDB,ChEMBL |
Ki | 430.0 nM | PMID8246243, PMID1613758, PMID8355252 | BindingDB,ChEMBL |
Ki | 577.0 nM | PMID8496902 | BindingDB,ChEMBL |
Ki | 930.0 nM | PMID15771443, PMID15294001 | BindingDB,ChEMBL |
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